Ethanol → 4-[[5-Amino4-[(2,4,6-trimethylphenyl)amino]-2-pyrimidinyl]amino]benzonitrile

반응식

[CH3:1][c:2]1[c:3]([NH:10][c:11]2[n:12][c:13]([NH:20][c:21]3[cH:22][cH:23][c:24]([C:25]#[N:26])[cH:27][cH:28]3)[n:14][cH:15][c:16]2[N+:17]([O-:18])=[O:19])[c:4]([CH3:9])[cH:5][c:6]([CH3:8])[cH:7]1.[CH3:31][CH2:32][OH:33].[NH2:29][NH2:30]>>[CH3:1][c:2]1[c:3]([NH:10][c:11]2[n:12][c:13]([NH:20][c:21]3[cH:22][cH:23][c:24]([C:25]#[N:26])[cH:27][cH:28]3)[n:14][cH:15][c:16]2[NH2:17])[c:4]([CH3:9])[cH:5][c:6]([CH3:8])[cH:7]1

참가 물질

반응물 3

HCID 702Ethanol

HCID 9321Hydrazine

HCID 221700954-[[4-[(2,4,6-Trimethylphenyl)amino]-5-nitro-2-pyrimidinyl]amino]benzonitrile

생성물 1

HCID 221700874-[[5-Amino4-[(2,4,6-trimethylphenyl)amino]-2-pyrimidinyl]amino]benzonitrile

출처 및 근거

ORD 기록: ord-392a7312d7b54c1999037f21097d2ea1
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

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